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2602-61-1

Basic Information
CAS No.: 2602-61-1
Name: N,N-Diethyldecanamide
Article Data: 10
Molecular Structure:
Molecular Structure of 2602-61-1 (N,N-Diethyldecanamide)
Formula: C14H29NO
Molecular Weight: 227.39
Synonyms: N,N-Diethyldecanamide;NSC 195015;
Density: 0.861 g/cm3
Boiling Point: 284.9 °C at 760 mmHg
Flash Point: 106 °C
Appearance: colorless transparent liquid
PSA: 20.31000
LogP: 3.99550
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Specification

This chemical is called N,N-Diethyldecanamide, and it can also be named as decanamide, N,N-diethyl-. With the molecular formula of C14H29NO, its molecular weight is 227.39. The CAS registry number of this chemical is 2602-61-1. In addition, this chemical is colorless transparent liquid.

Other characteristics of the N,N-Diethyldecanamide can be summarised as followings: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.447; (8)Molar Refractivity: 70.65 cm3; (9)Molar Volume: 264 cm3; (10)Polarizability: 28.01×10-24 cm3; (11)Surface Tension: 30.3 dyne/cm; (12)Density: 0.861 g/cm3; (13)Flash Point: 106 °C; (14)Enthalpy of Vaporization: 52.39 kJ/mol; (15)Boiling Point: 284.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00289 mmHg at 25°C.

Production method of this chemical: The N,N-Diethyldecanamide could be obtained by the reactants of 5-hexyl-dihydro-furan-2-one and diethylamine, the solvent of acetonitrile. The yield is 93 %. In addition, this reaction should be taken for 10 days at the temperature of 30°C.

Uses of this chemical: The diethyl-decyl-amine could be obtained by the reactant of N,N-Diethyldecanamide, the reagents of TiCl4, NaBH4, and the solvent of 1,2-dimethoxy-ethane. The yield is 94 %. In addition, this reaction should be taken for 14 hours at the ambient temperature.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N(CC)CC)CCCCCCCCC
2.InChI: InChI=1/C14H29NO/c1-4-7-8-9-10-11-12-13-14(16)15(5-2)6-3/h4-13H2,1-3H3
3.InChIKey: OOYRLFIIUVBZSY-UHFFFAOYAR
4.Std. InChI: InChI=1S/C14H29NO/c1-4-7-8-9-10-11-12-13-14(16)15(5-2)6-3/h4-13H2,1-3H3
5.Std. InChIKey: OOYRLFIIUVBZSY-UHFFFAOYSA-N